N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide

C15H23ClN2O3S — CID 119983634

IUPACN-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C15H23ClN2O3S/c1-21-12-7-8-13(16)15(9-12)22(19,20)18-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10,17H2,1H3
InChIKeyUPQIDCJZSYYNMZ-UHFFFAOYSA-N
MW346.88 g/mol
LogP2.53
Rot. Bonds6

About N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide

N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide (PubChem CID 119983634) has the molecular formula C15H23ClN2O3S and a molecular weight of 346.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
PubChem CID119983634
Molecular FormulaC15H23ClN2O3S
Molecular Weight346.88 g/mol
Exact Mass346.11
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide
SMILESCOc1ccc(Cl)c(S(=O)(=O)NC(CN)C2CCCCC2)c1
InChIInChI=1S/C15H23ClN2O3S/c1-21-12-7-8-13(16)15(9-12)22(19,20)18-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10,17H2,1H3
InChIKeyUPQIDCJZSYYNMZ-UHFFFAOYSA-N
XLogP2.53
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.88
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopentylethyl)-2-chloro-5-fluorobenzenesulfonamide
CID 106737900
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzenesulfonamide
CID 65188507
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide
CID 119986704
N-(2-amino-1-cyclopropylethyl)-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119986703
N-(2-amino-1-cyclopropylethyl)-5-bromo-2-chlorobenzenesulfonamide;hydrochloride
CID 119986989
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-fluorobenzenesulfonamide;hydrochloride
CID 86780735
N-(2-amino-1-cyclohexylethyl)-2-chloro-4-fluorobenzenesulfonamide;hydrochloride
CID 119983782
N-[2-(aminomethyl)cyclohexyl]-2-chloro-5-methoxybenzenesulfonamide
CID 119986168
N-(2-amino-1-cyclopentylethyl)-2,3-dichlorobenzenesulfonamide
CID 106737809
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
N-(2-amino-1-cyclopentylethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine-7-sulfonamide;hydrochloride
CID 120585133
N-(2-amino-1-cyclopropylethyl)-2-chloro-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119986603

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide (CID 119983634) is N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide is COc1ccc(Cl)c(S(=O)(=O)NC(CN)C2CCCCC2)c1.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide?
The InChIKey is UPQIDCJZSYYNMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3S/c1-21-12-7-8-13(16)15(9-12)22(19,20)18-14(10-17)11-5-3-2-4-6-11/h7-9,11,14,18H,2-6,10,17H2,1H3.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide?
N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide has a molecular weight of 346.88 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-chloro-5-methoxybenzenesulfonamide is sourced from PubChem (CID 119983634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).